ChemicalBook--->CAS DataBase List--->179756-91-3

179756-91-3

179756-91-3 Structure

179756-91-3 Structure
IdentificationBack Directory
[Name]

1-(4-Trifluoromethylpyrimidin-2-yl)piperazine
[CAS]

179756-91-3
[Synonyms]

179756-91-3
2-PIPERAZIN-YL-4-(TRIFLUOROMETHYL)PYRIMIDINE
1-(4-Trifluoromethylpyrimidin-2-yl)piperazine
2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
1-[4-(Trifluoromethyl)pyrimid-2-yl]piperazine ,97%
Pyrimidine, 2-(1-piperazinyl)-4-(trifluoromethyl)-
1-[4-(TrifluoroMethyl)-2-pyriMidinyl]piperazine, 97%
1-(4-Trifluoromethylpyrimidin-2-yl)piperazine ISO 9001:2015 REACH
[Molecular Formula]

C9H11F3N4
[MDL Number]

MFCD00203912
[MOL File]

179756-91-3.mol
[Molecular Weight]

232.21
Chemical PropertiesBack Directory
[Melting point ]

50-52°C
[Boiling point ]

331.3±52.0 °C(Predicted)
[density ]

1.306±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

8.56±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[HS Code ]

29335990
Hazard InformationBack Directory
[Chemical Properties]

Gray solid
[Synthesis]

Piperazine

110-85-0

2-Chloro-4-(trifluoromethyl)pyrimidine

33034-67-2

1-(4-Trifluoromethylpyrimidin-2-yl)piperazine

179756-91-3

2-Chloro-4-trifluoromethylpyrimidine (2.0 g, 11 mmol) and piperazine (2.8 g, 33 mmol) were dissolved in DMF (10 mL) and triethylamine (3.0 mL, 22 mmol) was added as base. The reaction mixture was placed in a sealed tube and the reaction was stirred at 100 °C overnight. After completion of the reaction, most of the solvent was removed under reduced pressure. The crude product was purified by silica gel column chromatography with EtOAc to EtOAc/MeOH/NEt3 (9:1:0.5) as eluent to afford 1-(4-trifluoromethylpyrimidin-2-yl)piperazine (1.48 g, 56% yield). Mass spectrometry analysis: the calculated value (M+H) of C9H11F3N4 was 233 and the measured value was 233.1.

[References]

[1] Patent: US2006/4018, 2006, A1. Location in patent: Page/Page column 37
Spectrum DetailBack Directory
[Spectrum Detail]

1-(4-Trifluoromethylpyrimidin-2-yl)piperazine(179756-91-3)1HNMR
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